(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one

C25H23FN4O — CID 89116031

IUPAC(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one
SMILESC[C@]1(c2cccc(-c3cncc(F)c3)c2)N=C(N)NC(=O)[C@@H]1c1ccc(C2CC2)cc1
InChIInChI=1S/C25H23FN4O/c1-25(20-4-2-3-18(11-20)19-12-21(26)14-28-13-19)22(23(31)29-24(27)30-25)17-9-7-16(8-10-17)15-5-6-15/h2-4,7-15,22H,5-6H2,1H3,(H3,27,29,30,31)/t22-,25+/m0/s1
InChIKeyDBOVRTNEAKNQMA-WIOPSUGQSA-N
MW414.48 g/mol
LogP4.21
Rot. Bonds4

About (4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one

(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one (PubChem CID 89116031) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is (4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one
PubChem CID89116031
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one
SMILESC[C@]1(c2cccc(-c3cncc(F)c3)c2)N=C(N)NC(=O)[C@@H]1c1ccc(C2CC2)cc1
InChIInChI=1S/C25H23FN4O/c1-25(20-4-2-3-18(11-20)19-12-21(26)14-28-13-19)22(23(31)29-24(27)30-25)17-9-7-16(8-10-17)15-5-6-15/h2-4,7-15,22H,5-6H2,1H3,(H3,27,29,30,31)/t22-,25+/m0/s1
InChIKeyDBOVRTNEAKNQMA-WIOPSUGQSA-N
XLogP4.21
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one?
The IUPAC name of (4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one (CID 89116031) is (4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one.
What is the SMILES notation for (4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one?
The canonical SMILES for (4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one is C[C@]1(c2cccc(-c3cncc(F)c3)c2)N=C(N)NC(=O)[C@@H]1c1ccc(C2CC2)cc1.
What is the InChIKey of (4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one?
The InChIKey is DBOVRTNEAKNQMA-WIOPSUGQSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-25(20-4-2-3-18(11-20)19-12-21(26)14-28-13-19)22(23(31)29-24(27)30-25)17-9-7-16(8-10-17)15-5-6-15/h2-4,7-15,22H,5-6H2,1H3,(H3,27,29,30,31)/t22-,25+/m0/s1.
What are the key properties of (4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one?
(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one has a molecular weight of 414.48 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one is sourced from PubChem (CID 89116031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).